==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 01-FEB-07 2OQX . COMPND 2 MOLECULE: TRYPTOPHANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.GOLDGUR,A.KOGAN,G.GDALEVSKY,A.PAROLA,R.COHEN-LURIA,O.ALMOG . 465 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20928.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 25 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 1 0 1 1 1 2 0 4 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 5 A K 0 0 201 0, 0.0 2,-0.6 0, 0.0 334,-0.1 0.000 360.0 360.0 360.0 115.1 37.6 64.1 47.8 2 6 A H - 0 0 10 333,-0.1 326,-0.1 332,-0.1 330,-0.1 -0.705 360.0-136.5 -81.9 119.4 35.9 60.9 47.1 3 7 A L - 0 0 66 -2,-0.6 2,-0.1 325,-0.2 421,-0.1 -0.400 21.6-104.6 -74.8 152.2 38.3 58.6 45.3 4 8 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 324,-0.0 -0.494 50.1 -87.5 -74.4 150.2 37.1 56.6 42.3 5 9 A E - 0 0 64 1,-0.1 2,-1.5 -2,-0.1 320,-0.1 -0.337 27.1-142.9 -60.0 126.7 36.6 52.8 43.0 6 10 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.305 80.5 50.1 -86.3 54.0 39.8 50.8 42.5 7 11 A F S S- 0 0 80 -2,-1.5 2,-0.5 318,-0.0 -2,-0.1 -0.965 82.6-109.1-176.3 163.1 37.7 48.0 41.1 8 12 A R - 0 0 175 -2,-0.3 2,-0.3 0, 0.0 0, 0.0 -0.907 37.7-119.5-105.4 132.2 34.9 47.1 38.7 9 13 A I + 0 0 99 -2,-0.5 3,-0.1 1,-0.2 -2,-0.0 -0.583 38.8 169.6 -69.6 133.0 31.6 46.1 40.2 10 14 A R + 0 0 138 1,-0.3 2,-0.4 -2,-0.3 -1,-0.2 0.687 59.4 28.7-117.4 -34.6 30.9 42.5 39.2 11 15 A V - 0 0 113 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 -0.999 66.2-169.6-134.3 133.3 27.8 41.3 41.2 12 16 A I - 0 0 127 -2,-0.4 -3,-0.0 -3,-0.1 0, 0.0 -0.909 19.7-142.7-124.2 151.8 25.0 43.4 42.5 13 17 A E - 0 0 157 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.942 32.9-127.3-110.5 107.3 22.1 42.9 44.9 14 18 A P - 0 0 117 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.249 24.5-168.2 -56.8 139.7 19.0 44.8 43.6 15 19 A V - 0 0 61 26,-0.0 2,-0.1 29,-0.0 26,-0.1 -0.998 19.9-124.4-132.2 126.1 17.4 47.2 46.1 16 20 A K - 0 0 92 -2,-0.4 2,-0.7 24,-0.4 0, 0.0 -0.412 13.7-128.0 -74.6 145.6 14.0 48.7 45.3 17 21 A R - 0 0 154 -2,-0.1 2,-0.2 26,-0.0 -1,-0.1 -0.838 32.5-158.5 -92.1 118.9 13.3 52.4 45.3 18 22 A T - 0 0 25 -2,-0.7 2,-0.2 23,-0.1 3,-0.0 -0.506 13.1-114.4 -96.0 165.8 10.3 53.0 47.5 19 23 A T > - 0 0 89 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.575 27.3-112.9 -94.0 162.5 7.9 56.0 47.6 20 24 A R H > S+ 0 0 100 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.920 119.5 52.3 -59.8 -43.7 7.6 58.4 50.6 21 25 A A H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.885 107.8 51.7 -60.1 -40.8 4.1 57.0 51.3 22 26 A Y H > S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.940 112.4 44.4 -62.3 -48.2 5.4 53.5 51.3 23 27 A R H X S+ 0 0 21 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.874 108.7 57.7 -65.4 -36.9 8.1 54.2 53.8 24 28 A E H X S+ 0 0 56 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.923 112.2 41.4 -58.7 -43.6 5.7 56.3 55.9 25 29 A E H X S+ 0 0 122 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.870 113.3 55.2 -71.1 -36.6 3.5 53.2 56.2 26 30 A A H X S+ 0 0 8 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.939 106.4 48.3 -62.2 -49.0 6.5 50.9 56.7 27 31 A I H <>S+ 0 0 0 -4,-2.9 5,-3.1 1,-0.2 6,-0.5 0.811 111.5 51.3 -64.2 -29.1 8.0 52.8 59.6 28 32 A I H ><5S+ 0 0 116 -4,-1.1 3,-1.6 -5,-0.3 -1,-0.2 0.903 108.2 51.3 -73.2 -40.9 4.5 52.8 61.3 29 33 A K H 3<5S+ 0 0 166 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.852 109.0 52.1 -62.9 -34.4 4.2 49.0 60.8 30 34 A S T 3<5S- 0 0 14 -4,-1.9 -1,-0.3 -5,-0.2 6,-0.3 0.298 118.6-113.6 -85.8 10.2 7.6 48.6 62.4 31 35 A G T < 5 - 0 0 2 -3,-1.6 432,-3.1 1,-0.2 -3,-0.2 0.881 66.9 -60.3 61.0 41.7 6.5 50.7 65.4 32 36 A M S - 0 0 0 -6,-0.5 3,-2.6 -3,-0.2 4,-0.2 -0.841 53.0-160.6-143.9 102.0 11.8 51.2 65.0 34 38 A P G > S+ 0 0 5 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.758 90.5 71.3 -52.0 -28.2 14.2 50.6 62.1 35 39 A F G 3 S+ 0 0 49 1,-0.3 424,-0.1 423,-0.3 354,-0.0 0.759 98.3 49.9 -60.8 -24.2 15.3 47.4 63.7 36 40 A L G < S+ 0 0 58 -3,-2.6 -1,-0.3 -6,-0.3 2,-0.2 0.369 88.6 108.4 -95.7 2.3 11.9 46.0 62.8 37 41 A L S < S- 0 0 9 -3,-1.8 2,-0.2 -4,-0.2 5,-0.1 -0.542 77.3-109.3 -80.3 146.7 12.0 47.0 59.2 38 42 A D > - 0 0 106 -2,-0.2 3,-1.4 1,-0.1 4,-0.2 -0.524 23.8-126.2 -72.7 142.3 12.4 44.5 56.4 39 43 A S G > S+ 0 0 73 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.869 109.8 60.8 -55.6 -38.9 15.9 44.7 54.8 40 44 A E G 3 S+ 0 0 145 1,-0.3 -24,-0.4 -25,-0.1 -1,-0.3 0.745 99.8 56.2 -62.1 -24.0 14.2 45.0 51.4 41 45 A D G < S+ 0 0 15 -3,-1.4 2,-0.6 -26,-0.1 -1,-0.3 0.385 90.7 87.4 -89.3 2.8 12.5 48.2 52.5 42 46 A V < - 0 0 6 -3,-1.9 3,-0.3 -4,-0.2 344,-0.1 -0.915 53.9-173.2-106.7 119.7 15.8 49.8 53.4 43 47 A F S S+ 0 0 26 342,-1.4 2,-0.5 -2,-0.6 343,-0.2 0.937 82.7 20.0 -74.8 -49.2 17.5 51.6 50.6 44 48 A I E S-a 386 0A 0 341,-1.6 343,-2.3 340,-0.1 2,-0.9 -0.946 75.9-160.8-126.5 107.0 20.8 52.4 52.4 45 49 A D E +a 387 0A 35 -2,-0.5 3,-0.3 -3,-0.3 343,-0.1 -0.780 22.0 163.5 -96.3 103.3 21.4 50.2 55.4 46 50 A L + 0 0 0 341,-2.3 370,-1.2 -2,-0.9 343,-0.4 0.047 39.3 116.7-104.1 23.4 24.0 51.8 57.8 47 51 A L S S- 0 0 39 1,-0.2 2,-0.3 341,-0.2 342,-0.2 0.942 87.3 -20.5 -55.8 -52.5 23.1 49.5 60.7 48 52 A T - 0 0 41 -3,-0.3 -1,-0.2 368,-0.1 368,-0.0 -0.990 38.6-146.1-157.0 157.9 26.5 47.9 60.8 49 53 A D + 0 0 5 -2,-0.3 2,-0.9 -3,-0.1 3,-0.5 0.286 65.6 120.3-107.0 6.5 29.7 47.3 58.7 50 54 A S S S- 0 0 37 1,-0.2 215,-0.2 2,-0.1 214,-0.1 -0.616 98.3 -26.6 -78.3 105.5 30.2 44.0 60.4 51 55 A G S S+ 0 0 21 213,-2.8 -1,-0.2 -2,-0.9 214,-0.1 0.645 113.4 106.0 66.2 17.0 30.1 41.3 57.7 52 56 A T + 0 0 61 -3,-0.5 -2,-0.1 212,-0.3 -1,-0.1 0.335 55.0 100.6-106.8 3.9 27.9 43.4 55.5 53 57 A G S S- 0 0 30 -4,-0.4 367,-0.2 211,-0.2 2,-0.1 -0.262 75.5 -94.1 -88.1 174.5 30.5 44.4 52.9 54 58 A A - 0 0 38 365,-2.3 2,-0.3 -2,-0.1 -1,-0.1 -0.337 32.0-140.6 -81.2 165.9 31.4 43.1 49.5 55 59 A V - 0 0 53 365,-0.1 2,-0.1 -2,-0.1 213,-0.1 -0.815 19.5-109.7-121.6 164.1 33.9 40.4 48.7 56 60 A T > - 0 0 46 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.445 33.5-104.6 -87.5 168.4 36.4 40.3 45.8 57 61 A Q H > S+ 0 0 137 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.921 121.7 49.1 -57.5 -48.3 36.1 37.8 42.9 58 62 A S H > S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.855 109.6 52.3 -62.3 -36.5 38.9 35.6 44.3 59 63 A M H > S+ 0 0 0 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.917 112.0 44.8 -65.8 -44.2 37.4 35.6 47.7 60 64 A Q H >< S+ 0 0 111 -4,-2.2 3,-1.2 1,-0.2 4,-0.3 0.930 111.5 52.8 -65.5 -44.9 34.0 34.4 46.4 61 65 A A H >< S+ 0 0 54 -4,-2.7 3,-2.0 1,-0.3 -1,-0.2 0.861 98.5 66.4 -58.2 -37.0 35.6 31.8 44.2 62 66 A A H >< S+ 0 0 0 -4,-1.8 3,-2.1 1,-0.3 -1,-0.3 0.780 84.8 72.1 -55.7 -31.4 37.5 30.5 47.2 63 67 A M T << S+ 0 0 53 -3,-1.2 3,-0.5 -4,-0.7 -1,-0.3 0.714 94.4 54.9 -59.1 -21.4 34.2 29.3 48.8 64 68 A M T < S+ 0 0 175 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.306 96.7 65.0 -96.3 9.1 34.0 26.6 46.2 65 69 A R S < S+ 0 0 115 -3,-2.1 -1,-0.2 243,-0.1 -2,-0.1 0.069 73.1 145.8-116.3 23.3 37.5 25.1 47.0 66 70 A G - 0 0 23 -3,-0.5 2,-0.7 1,-0.1 242,-0.1 -0.331 40.8-154.0 -72.4 141.7 36.8 23.9 50.5 67 71 A D - 0 0 40 -2,-0.1 8,-0.3 240,-0.1 9,-0.2 -0.948 10.0-167.2-109.3 106.7 38.2 20.8 52.2 68 72 A E + 0 0 115 -2,-0.7 -1,-0.1 238,-0.1 5,-0.1 0.323 35.2 139.4 -81.4 9.4 35.6 19.9 54.8 69 73 A A - 0 0 49 1,-0.1 4,-0.3 3,-0.1 -2,-0.1 -0.228 57.4-132.1 -55.2 139.4 37.8 17.4 56.7 70 74 A Y S S+ 0 0 170 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.865 89.0 13.5 -61.7 -37.3 37.4 17.6 60.5 71 75 A S S S+ 0 0 87 1,-0.1 -1,-0.2 5,-0.0 -2,-0.0 -0.980 122.1 27.2-140.3 153.0 41.2 17.7 60.9 72 76 A G S S+ 0 0 42 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.647 75.7 173.0 73.4 15.8 44.2 18.2 58.6 73 77 A S > - 0 0 3 -4,-0.3 4,-2.3 1,-0.2 3,-0.3 -0.342 35.9-144.4 -61.9 130.9 42.2 20.3 56.2 74 78 A R H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.744 103.9 58.9 -65.5 -22.3 44.1 21.9 53.4 75 79 A S H > S+ 0 0 0 -8,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.854 105.4 47.0 -74.7 -35.9 41.7 24.8 53.8 76 80 A Y H > S+ 0 0 51 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.930 112.3 51.6 -68.0 -43.9 42.8 25.2 57.4 77 81 A Y H X S+ 0 0 134 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.880 107.6 52.0 -58.9 -41.6 46.4 25.0 56.2 78 82 A A H X S+ 0 0 30 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.915 111.0 47.1 -62.1 -43.5 45.9 27.7 53.6 79 83 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.918 112.9 48.7 -65.2 -42.2 44.4 30.0 56.2 80 84 A A H X S+ 0 0 20 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.860 109.5 53.3 -65.7 -35.2 47.3 29.3 58.6 81 85 A E H X S+ 0 0 93 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.888 106.8 51.8 -66.8 -38.9 49.8 29.9 55.8 82 86 A S H X S+ 0 0 10 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.934 110.2 48.8 -61.8 -45.6 48.2 33.3 55.1 83 87 A V H X>S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-1.1 0.908 111.7 49.8 -60.0 -43.7 48.5 34.3 58.8 84 88 A K H X5S+ 0 0 101 -4,-2.2 4,-0.5 4,-0.2 -1,-0.2 0.912 116.3 40.6 -63.3 -44.3 52.1 33.1 58.8 85 89 A N H <5S+ 0 0 74 -4,-2.5 -2,-0.2 2,-0.1 -1,-0.2 0.795 123.9 38.2 -76.8 -28.0 53.1 35.1 55.7 86 90 A I H <5S+ 0 0 6 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.917 135.6 15.1 -88.5 -50.0 51.0 38.2 56.6 87 91 A F H <5S- 0 0 4 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.617 94.4-124.0-100.3 -16.9 51.5 38.5 60.4 88 92 A G << + 0 0 20 -5,-1.1 2,-0.5 -4,-0.5 -4,-0.2 0.636 61.5 145.2 81.6 13.9 54.5 36.2 60.8 89 93 A Y - 0 0 1 -6,-1.1 -1,-0.3 1,-0.1 189,-0.3 -0.763 38.7-160.8 -92.6 127.4 52.5 34.1 63.4 90 94 A Q S S+ 0 0 96 188,-2.6 2,-0.5 -2,-0.5 188,-0.2 0.665 71.0 61.9 -79.9 -19.4 53.1 30.4 63.4 91 95 A Y E -B 277 0B 37 186,-2.3 186,-2.2 -8,-0.1 2,-0.4 -0.943 61.3-176.1-119.0 126.9 50.0 29.2 65.2 92 96 A T E -B 276 0B 1 -2,-0.5 184,-0.2 184,-0.2 -12,-0.1 -0.961 13.4-177.8-127.3 132.5 46.4 29.7 64.0 93 97 A I E -B 275 0B 9 182,-1.9 182,-1.6 -2,-0.4 2,-0.2 -0.960 22.4-145.0-123.5 108.7 43.1 28.9 65.5 94 98 A P E -B 274 0B 27 0, 0.0 2,-0.3 0, 0.0 180,-0.2 -0.517 18.4-160.1 -73.3 143.9 40.1 29.8 63.2 95 99 A T E B 273 0B 3 178,-2.3 178,-1.8 -2,-0.2 209,-0.1 -0.908 360.0 360.0-124.9 153.1 37.1 31.0 65.1 96 100 A H 0 0 109 -2,-0.3 4,-0.2 176,-0.2 3,-0.1 -0.595 360.0 360.0-128.1 360.0 33.4 31.2 64.2 97 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 98 103 A R 0 0 76 0, 0.0 3,-0.3 0, 0.0 164,-0.3 0.000 360.0 360.0 360.0 73.1 35.0 37.7 68.1 99 104 A G - 0 0 0 162,-0.4 5,-0.2 1,-0.2 163,-0.1 0.666 360.0 -77.7 75.7 15.2 38.5 36.1 67.8 100 105 A A S >> S+ 0 0 5 -4,-0.2 4,-1.9 3,-0.1 3,-1.1 0.955 71.9 162.4 59.1 45.5 37.6 33.9 70.7 101 106 A E H 3> S+ 0 0 3 -3,-0.3 4,-1.5 1,-0.2 -1,-0.1 0.818 75.1 65.6 -52.9 -35.3 38.1 36.5 73.6 102 107 A Q H 34 S+ 0 0 92 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.628 109.1 39.9 -66.9 -11.5 36.0 34.0 75.6 103 108 A I H <> S+ 0 0 1 -3,-1.1 4,-1.7 2,-0.1 -2,-0.2 0.867 114.3 42.4-102.1 -59.7 39.0 31.7 75.2 104 109 A Y H X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.2 5,-0.3 0.812 107.6 62.9 -63.1 -29.8 42.3 33.6 75.5 105 110 A I H X S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.977 108.7 37.2 -61.6 -57.7 41.1 35.7 78.5 106 111 A P H > S+ 0 0 29 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.876 117.5 54.8 -63.0 -32.3 40.6 32.8 80.9 107 112 A V H X S+ 0 0 8 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.920 110.4 43.5 -65.0 -44.6 43.7 31.1 79.5 108 113 A L H X S+ 0 0 1 -4,-2.9 4,-2.0 2,-0.2 5,-0.2 0.869 112.1 54.0 -70.2 -35.8 46.0 34.1 80.0 109 114 A I H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.3 -2,-0.2 0.951 111.9 43.7 -61.9 -49.1 44.6 34.7 83.5 110 115 A K H X S+ 0 0 87 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.840 108.9 59.3 -65.7 -34.7 45.3 31.1 84.6 111 116 A K H X S+ 0 0 32 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.953 110.8 39.6 -58.5 -51.6 48.7 31.2 83.0 112 117 A R H X S+ 0 0 10 -4,-2.0 4,-2.1 1,-0.2 6,-1.6 0.758 112.6 57.0 -71.7 -25.3 49.9 34.1 85.1 113 118 A E H X S+ 0 0 69 -4,-1.5 4,-0.6 4,-0.3 -1,-0.2 0.895 114.2 38.7 -71.5 -39.3 48.2 32.8 88.2 114 119 A Q H < S+ 0 0 127 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.827 126.3 35.7 -79.4 -33.6 50.1 29.5 88.0 115 120 A E H < S+ 0 0 104 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.838 134.0 16.7 -91.4 -37.3 53.4 31.0 86.9 116 121 A K H < S- 0 0 56 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.1 0.268 102.2-106.9-122.2 11.9 53.6 34.4 88.7 117 122 A G < - 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0 0 0 -36,-0.2 33,-0.1 -37,-0.1 2,-0.1 -0.976 22.4-126.1-120.2 130.7 47.7 53.6 66.6 201 206 A S > - 0 0 8 -2,-0.4 4,-2.1 -39,-0.2 5,-0.1 -0.401 11.5-128.3 -77.9 155.0 51.2 54.4 65.5 202 207 A L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.851 112.8 56.7 -68.6 -33.5 53.9 51.8 65.1 203 208 A A H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.931 108.8 46.6 -61.9 -43.9 56.2 53.9 67.3 204 209 A N H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.889 111.7 50.4 -65.4 -41.3 53.5 53.7 70.0 205 210 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.907 110.3 49.5 -64.4 -41.6 53.1 50.0 69.6 206 211 A K H X S+ 0 0 82 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.925 111.9 48.9 -62.2 -44.9 56.8 49.4 69.8 207 212 A A H X S+ 0 0 33 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.897 112.4 48.2 -61.4 -42.7 57.0 51.5 73.0 208 213 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.899 111.3 49.7 -66.0 -41.1 54.0 49.7 74.5 209 214 A Y H X S+ 0 0 20 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.846 106.6 56.3 -67.5 -33.0 55.5 46.3 73.7 210 215 A S H X S+ 0 0 78 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.948 110.3 45.1 -61.8 -46.9 58.8 47.4 75.2 211 216 A I H X S+ 0 0 21 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.938 114.6 47.7 -61.2 -48.2 56.9 48.1 78.5 212 217 A A H <>S+ 0 0 0 -4,-2.6 5,-3.2 1,-0.2 4,-0.2 0.893 112.5 48.8 -60.4 -43.2 55.0 44.8 78.3 213 218 A K H ><5S+ 0 0 129 -4,-2.9 3,-1.1 3,-0.2 -1,-0.2 0.883 104.7 59.0 -65.4 -39.7 58.1 42.8 77.6 214 219 A K H 3<5S+ 0 0 127 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.916 116.7 34.1 -55.9 -42.9 60.0 44.4 80.5 215 220 A Y T 3<5S- 0 0 57 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.350 111.3-121.4 -94.3 5.2 57.2 43.1 82.8 216 221 A D T < 5 + 0 0 94 -3,-1.1 -3,-0.2 -4,-0.2 -4,-0.1 0.906 55.8 158.9 55.1 45.0 56.7 39.9 80.8 217 222 A I < - 0 0 2 -5,-3.2 -1,-0.2 -8,-0.1 -32,-0.1 -0.875 44.5-114.1-102.5 127.5 53.0 40.7 80.2 218 223 A P - 0 0 5 0, 0.0 -32,-2.2 0, 0.0 2,-0.5 -0.310 27.6-151.2 -58.9 136.8 51.3 39.0 77.3 219 224 A V E -e 186 0B 0 -34,-0.2 38,-2.8 -32,-0.1 39,-1.5 -0.959 8.5-166.3-117.5 121.9 50.2 41.4 74.5 220 225 A V E -ef 187 258B 0 -34,-2.9 -32,-2.6 -2,-0.5 2,-0.8 -0.921 13.5-143.4-109.5 124.9 47.1 40.6 72.4 221 226 A M E -ef 188 259B 0 37,-2.3 39,-2.3 -2,-0.5 2,-1.2 -0.782 6.7-150.4 -90.7 109.2 46.5 42.5 69.2 222 227 A D E +ef 189 260B 1 -34,-2.1 -32,-2.4 -2,-0.8 3,-0.3 -0.708 25.7 179.5 -78.1 103.3 42.8 43.1 68.7 223 228 A S > + 0 0 0 37,-2.2 3,-1.7 -2,-1.2 4,-0.2 0.038 35.9 124.3-104.7 26.8 43.0 43.1 64.9 224 229 A A T 3 S+ 0 0 2 1,-0.3 42,-1.6 36,-0.3 43,-0.4 0.882 95.2 28.1 -51.6 -39.8 39.5 43.6 63.4 225 230 A R T 3> S+ 0 0 9 -35,-1.2 4,-1.6 -3,-0.3 -1,-0.3 -0.304 76.8 136.2-118.9 51.7 40.9 46.7 61.5 226 231 A F H <> S+ 0 0 3 -3,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.838 73.3 51.4 -64.3 -34.7 44.5 45.8 61.2 227 232 A A H > S+ 0 0 0 -4,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 107.4 48.9 -72.6 -43.8 44.6 47.0 57.5 228 233 A E H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.880 111.4 52.4 -65.4 -34.0 43.1 50.4 58.0 229 234 A N H X S+ 0 0 1 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.929 108.5 50.0 -66.2 -43.1 45.5 51.0 60.9 230 235 A A H X S+ 0 0 1 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.894 110.1 51.8 -60.8 -39.2 48.4 50.0 58.6 231 236 A Y H X S+ 0 0 31 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.907 108.3 49.7 -65.0 -41.5 47.1 52.4 56.0 232 237 A F H X S+ 0 0 7 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.852 110.2 51.7 -65.9 -33.0 46.9 55.3 58.5 233 238 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 7,-0.4 0.913 110.7 47.4 -67.9 -42.1 50.5 54.5 59.5 234 239 A K H < S+ 0 0 40 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.877 118.6 42.2 -65.1 -37.5 51.6 54.7 55.9 235 240 A Q H < S+ 0 0 89 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.833 131.4 19.1 -79.1 -35.2 49.7 57.9 55.4 236 241 A R H < S+ 0 0 67 -4,-2.8 2,-1.0 -5,-0.2 -3,-0.2 0.683 103.2 78.1-113.3 -23.9 50.6 59.7 58.7 237 242 A E >< - 0 0 24 -4,-2.3 3,-2.3 -5,-0.4 4,-0.2 -0.776 65.4-155.3 -94.5 100.3 53.8 58.1 60.2 238 243 A A G > S+ 0 0 89 -2,-1.0 3,-1.6 1,-0.3 4,-0.3 0.766 87.3 64.8 -39.7 -42.9 56.6 59.5 58.1 239 244 A E G 3 S+ 0 0 145 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.807 109.1 39.2 -55.7 -32.2 59.0 56.6 58.8 240 245 A Y G X S+ 0 0 13 -3,-2.3 3,-1.7 -7,-0.4 -1,-0.3 0.204 77.6 116.7-107.1 16.2 56.6 54.2 56.9 241 246 A K T < S+ 0 0 138 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.850 86.1 35.0 -51.2 -42.5 55.6 56.4 54.0 242 247 A D T 3 S+ 0 0 139 -4,-0.3 -1,-0.3 -3,-0.3 2,-0.2 0.247 95.1 107.5-100.3 12.9 57.2 54.2 51.4 243 248 A W S < S- 0 0 86 -3,-1.7 2,-0.1 -9,-0.1 -3,-0.0 -0.629 71.7-118.4 -88.0 149.1 56.5 50.9 53.1 244 249 A T > - 0 0 60 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.433 25.9-110.4 -80.5 162.8 53.8 48.6 51.6 245 250 A I H > S+ 0 0 3 76,-0.2 4,-2.1 1,-0.2 5,-0.2 0.897 121.3 53.6 -59.1 -39.0 50.7 47.8 53.7 246 251 A E H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 108.8 46.6 -63.1 -44.1 52.1 44.2 53.9 247 252 A Q H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 112.4 50.8 -65.3 -41.2 55.5 45.4 55.2 248 253 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.870 111.1 49.4 -62.9 -36.7 53.8 47.7 57.8 249 254 A T H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.914 110.0 49.2 -70.1 -43.2 51.6 44.8 59.0 250 255 A R H < S+ 0 0 117 -4,-2.3 -2,-0.2 1,-0.2 4,-0.2 0.932 116.1 44.3 -61.2 -44.1 54.6 42.4 59.3 251 256 A E H >< S+ 0 0 25 -4,-2.4 3,-1.8 1,-0.2 4,-0.4 0.936 109.9 55.2 -65.9 -47.3 56.4 45.0 61.3 252 257 A T H >< S+ 0 0 3 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.894 103.4 55.8 -52.6 -45.0 53.4 46.0 63.4 253 258 A Y G >< S+ 0 0 1 -4,-2.1 3,-0.7 1,-0.3 -1,-0.3 0.439 85.8 77.2 -74.6 2.2 52.9 42.4 64.6 254 259 A K G < S+ 0 0 106 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.700 89.3 65.1 -78.6 -17.0 56.4 42.0 66.0 255 260 A Y G < S+ 0 0 38 -3,-1.7 2,-0.3 -4,-0.4 -1,-0.2 -0.114 97.8 53.2-100.8 38.2 54.9 44.1 68.8 256 261 A A < - 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0 0 48 -7,-1.9 2,-0.2 -8,-0.1 -5,-0.2 -0.989 15.5-157.1-141.5 135.3 31.6 20.3 71.6 302 307 A Y + 0 0 162 -2,-0.3 2,-0.2 -7,-0.1 -8,-0.0 -0.720 31.9 98.9-117.8 167.4 32.6 20.4 68.0 303 308 A G + 0 0 60 -2,-0.2 2,-0.3 -233,-0.1 -2,-0.1 -0.752 25.8 169.4 143.6 170.6 32.2 22.5 64.9 304 309 A G - 0 0 53 -2,-0.2 3,-0.1 -209,-0.1 -209,-0.1 -0.964 45.7 -42.2 170.6 177.7 34.0 25.2 62.9 305 310 A L - 0 0 16 -2,-0.3 -209,-0.1 1,-0.1 -2,-0.1 -0.318 64.4-108.7 -62.3 144.8 34.1 27.3 59.7 306 311 A E >> - 0 0 113 1,-0.1 4,-1.4 -240,-0.0 3,-0.7 -0.360 33.9-104.3 -70.5 159.4 33.3 25.3 56.6 307 312 A G H >> S+ 0 0 1 1,-0.3 4,-2.3 2,-0.2 3,-0.5 0.906 120.6 54.3 -51.3 -47.9 36.2 24.7 54.3 308 313 A G H 3> S+ 0 0 0 -245,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.843 104.6 55.5 -57.1 -35.0 35.2 27.3 51.8 309 314 A A H <> S+ 0 0 7 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.849 107.9 47.4 -68.4 -35.3 35.0 29.9 54.6 310 315 A M H X S+ 0 0 30 -4,-1.1 4,-2.3 -3,-0.3 3,-1.1 0.855 112.3 60.4 -88.1 -41.7 42.4 35.3 50.5 316 321 A G H 3X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.3 -2,-0.2 0.826 94.5 63.1 -55.8 -37.3 40.5 38.0 52.3 317 322 A L H 3< S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.2 4,-0.2 0.849 111.5 39.1 -58.1 -34.2 43.4 38.7 54.6 318 323 A Y H X4 S+ 0 0 89 -3,-1.1 3,-1.7 -4,-0.3 4,-0.2 0.929 115.0 48.9 -81.1 -49.8 45.4 39.7 51.5 319 324 A D H >< S+ 0 0 48 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.835 104.0 63.4 -59.5 -32.0 42.7 41.6 49.6 320 325 A G T 3< S+ 0 0 0 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.720 99.8 53.9 -65.4 -20.2 41.9 43.5 52.7 321 326 A M T < S+ 0 0 1 -3,-1.7 -1,-0.3 -4,-0.2 -76,-0.2 0.386 74.1 134.6 -93.9 0.9 45.4 45.0 52.6 322 327 A N <> - 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